6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one

C14H23NO — CID 134894496

IUPAC6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
SMILESCCCC/C=C/CCCC1=CCCC(=O)N1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,15,16)/b6-5+
InChIKeyXIALAYGQVJTRHZ-AATRIKPKSA-N
MW221.34 g/mol
LogP3.70
Rot. Bonds7

About 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one

6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one (PubChem CID 134894496) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
PubChem CID134894496
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
SMILESCCCC/C=C/CCCC1=CCCC(=O)N1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,15,16)/b6-5+
InChIKeyXIALAYGQVJTRHZ-AATRIKPKSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one (CID 134894496) is 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one is CCCC/C=C/CCCC1=CCCC(=O)N1.
What is the InChIKey of 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is XIALAYGQVJTRHZ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(16)15-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,15,16)/b6-5+.
What are the key properties of 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one?
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 134894496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).